N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine

C17H15N3S3 — CID 8803958

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1csc(-c2ccsc2)n1)Cc1nc2ccccc2s1
InChIInChI=1S/C17H15N3S3/c1-20(9-16-19-14-4-2-3-5-15(14)23-16)8-13-11-22-17(18-13)12-6-7-21-10-12/h2-7,10-11H,8-9H2,1H3
InChIKeyMEKKYSZJWUWKJB-UHFFFAOYSA-N
MW357.53 g/mol
LogP5.11
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 8803958) has the molecular formula C17H15N3S3 and a molecular weight of 357.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
PubChem CID8803958
Molecular FormulaC17H15N3S3
Molecular Weight357.53 g/mol
Exact Mass357.04
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1csc(-c2ccsc2)n1)Cc1nc2ccccc2s1
InChIInChI=1S/C17H15N3S3/c1-20(9-16-19-14-4-2-3-5-15(14)23-16)8-13-11-22-17(18-13)12-6-7-21-10-12/h2-7,10-11H,8-9H2,1H3
InChIKeyMEKKYSZJWUWKJB-UHFFFAOYSA-N
XLogP5.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
CID 134052869
N-(1,3-benzothiazol-2-ylmethyl)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 17411684
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
methyl 2-[methyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 60673153
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoate
CID 60699740
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 34760718
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine (CID 8803958) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine is CN(Cc1csc(-c2ccsc2)n1)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is MEKKYSZJWUWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S3/c1-20(9-16-19-14-4-2-3-5-15(14)23-16)8-13-11-22-17(18-13)12-6-7-21-10-12/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 357.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 8803958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).